4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide

C23H23FN4O3 — CID 177234462

IUPAC4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)cc4F)CO3)cc2[nH]c1=O
InChIInChI=1S/C23H23FN4O3/c1-3-15-10-20-21(27-23(15)30)8-14(11-26-20)12-28-7-6-17(13-31-28)18-5-4-16(9-19(18)24)22(29)25-2/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyBZRUMCGLEZTTMW-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.82
Rot. Bonds5

About 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide

4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide (PubChem CID 177234462) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide
PubChem CID177234462
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)cc4F)CO3)cc2[nH]c1=O
InChIInChI=1S/C23H23FN4O3/c1-3-15-10-20-21(27-23(15)30)8-14(11-26-20)12-28-7-6-17(13-31-28)18-5-4-16(9-19(18)24)22(29)25-2/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyBZRUMCGLEZTTMW-UHFFFAOYSA-N
XLogP2.82
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide
CID 177234615
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide
CID 177234413
6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
CID 170311157
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 166082534
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide
CID 166082585
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056342
ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 166088880
13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
CID 166138953

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide (CID 177234462) is 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide is CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)cc4F)CO3)cc2[nH]c1=O.
What is the InChIKey of 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide?
The InChIKey is BZRUMCGLEZTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-3-15-10-20-21(27-23(15)30)8-14(11-26-20)12-28-7-6-17(13-31-28)18-5-4-16(9-19(18)24)22(29)25-2/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide?
4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide has a molecular weight of 422.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 177234462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).